Information card for entry 1514542

Structure parameters

• Formula: C27 H44 N4 Ni
• Calculated formula: C27 H44 N4 Ni
• SMILES: [Ni]12(=C3N(C(=C(N3CN3C=1N(C(=C3C)C)C(C)(C)C)C)C)C(C)(C)C)[CH]1CCC=CCC[CH]2=1
• Title of publication: Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand
• Authors of publication: Harrold, Nicole D.; Hillhouse, Gregory L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 4011
• a: 17.8294 ± 0.0019 Å
• b: 42.047 ± 0.005 Å
• c: 17.6823 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13256 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No